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CHEBI:212148 - Penicimarin H

ChEBI IDCHEBI:212148
ChEBI NamePenicimarin H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O5
Net Charge0
Average Mass278.304
Monoisotopic Mass278.11542
SMILESCOc1ccc(O)c2c1C(=O)O[C@H](CCCC(C)=O)C2
InChIInChI=1S/C15H18O5/c1-9(16)4-3-5-10-8-11-12(17)6-7-13(19-2)14(11)15(18)20-10/h6-7,10,17H,3-5,8H2,1-2H3/t10-/m1/s1
InChIKeyDTZZJVJWGUYQFS-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (27735855)
ChEBI Ontology
Outgoing Relation(s)
Penicimarin H (CHEBI:212148) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-5-hydroxy-8-methoxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
58197353ChemSpider